Crystallography Open Database

Information card for entry 4112991

Preview

Coordinates	4112991.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis-Pt(propylene)Cl2PPh3
Chemical name	cis-PtCl2(PPh3)(C3H6)
Formula	C21 H21 Cl2 P Pt
Calculated formula	C21 H21 Cl2 P Pt
SMILES	[Pt]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[CH2]=[CH]1C
Title of publication	Amine Attack on Coordinated Alkenes: An Interconversion from Anti-Markovnikoff to Markovnikoff Products
Authors of publication	Ruslan Pryadun; Dinesh Sukumaran; Robert Bogadi; Jim D. Atwood
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12414 - 12420
a	11.106 ± 0.001 Å
b	14.117 ± 0.001 Å
c	13.274 ± 0.001 Å
α	90°
β	98.934 ± 0.003°
γ	90°
Cell volume	2055.9 ± 0.3 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178900 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/29.	4112991.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4112991.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112991.cif
65410	2012-09-05	cif/ Adding structures of 4112991 via cif-deposit CGI script.	4112991.cif